6-(Aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one Hydrochloride - CAS 957719-43-6

Catalog:	BB074535
Product Name:	6-(Aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one Hydrochloride
CAS:	957719-43-6
Synonyms:	6-(aminomethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one; hydrochloride; 6-(aminomethyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one hydrochloride; 6-(aminomethyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one hydrochloride

Technical Data

IUPAC Name:	6-(aminomethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-onehydrochloride
Molecular Weight:	241.25 + (36.46 )
Molecular Formula:	C12H11N5O·(HCl)
Canonical SMILES:	C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)CN.Cl
InChI:	InChI=1S/C12H11N5O.ClH/c13-6-10-15-11-9(12(18)16-10)7-14-17(11)8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,15,16,18)1H
InChI Key:	BCARDVHJQQQXKX-UHFFFAOYSA-N
References:	Bol'but, A. V., et al. Zh. Org. Farm. Khim., 4, 57 (2006).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.0730377
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	277.0730377
Rotatable Bond Count:	2
Topological Polar Surface Area:	85.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0